5-(2-fluorophenyl)-1-methyl-5,6-dihydro-4H-pyrimidine

C11H13FN2 — CID 20546364

IUPAC5-(2-fluorophenyl)-1-methyl-5,6-dihydro-4H-pyrimidine
SMILESCN1C=NCC(c2ccccc2F)C1
InChIInChI=1S/C11H13FN2/c1-14-7-9(6-13-8-14)10-4-2-3-5-11(10)12/h2-5,8-9H,6-7H2,1H3
InChIKeyNPRLSFRGDVGVMD-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.88
Rot. Bonds1

About 5-(2-fluorophenyl)-1-methyl-5,6-dihydro-4H-pyrimidine

5-(2-fluorophenyl)-1-methyl-5,6-dihydro-4H-pyrimidine (PubChem CID 20546364) has the molecular formula C11H13FN2 and a molecular weight of 192.24 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-1-methyl-5,6-dihydro-4H-pyrimidine.

Molecular Properties

Compound Name5-(2-fluorophenyl)-1-methyl-5,6-dihydro-4H-pyrimidine
PubChem CID20546364
Molecular FormulaC11H13FN2
Molecular Weight192.24 g/mol
Exact Mass192.11
IUPAC Name5-(2-fluorophenyl)-1-methyl-5,6-dihydro-4H-pyrimidine
SMILESCN1C=NCC(c2ccccc2F)C1
InChIInChI=1S/C11H13FN2/c1-14-7-9(6-13-8-14)10-4-2-3-5-11(10)12/h2-5,8-9H,6-7H2,1H3
InChIKeyNPRLSFRGDVGVMD-UHFFFAOYSA-N
XLogP1.88
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-1-methyl-5,6-dihydro-4H-pyrimidine?
The IUPAC name of 5-(2-fluorophenyl)-1-methyl-5,6-dihydro-4H-pyrimidine (CID 20546364) is 5-(2-fluorophenyl)-1-methyl-5,6-dihydro-4H-pyrimidine.
What is the SMILES notation for 5-(2-fluorophenyl)-1-methyl-5,6-dihydro-4H-pyrimidine?
The canonical SMILES for 5-(2-fluorophenyl)-1-methyl-5,6-dihydro-4H-pyrimidine is CN1C=NCC(c2ccccc2F)C1.
What is the InChIKey of 5-(2-fluorophenyl)-1-methyl-5,6-dihydro-4H-pyrimidine?
The InChIKey is NPRLSFRGDVGVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2/c1-14-7-9(6-13-8-14)10-4-2-3-5-11(10)12/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 5-(2-fluorophenyl)-1-methyl-5,6-dihydro-4H-pyrimidine?
5-(2-fluorophenyl)-1-methyl-5,6-dihydro-4H-pyrimidine has a molecular weight of 192.24 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-1-methyl-5,6-dihydro-4H-pyrimidine is sourced from PubChem (CID 20546364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).